%chk=000151087.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151087

0 1
 S   -3.671500      -1.831500     -0.6620000    
 O    1.838200     -0.1386000      -1.584600    
 O  -0.7586000       2.265000       1.506500    
 O    4.386000      0.5627000      3.2900002E-02
 O   -2.064200       2.862800     -0.2401000    
 N   0.4568000      0.3110000      0.2232000    
 N    2.099900      -2.248600      0.7347000    
 C  -0.5847000      0.9684000     -0.5301000    
 C   -1.624000     -3.3000000E-02  -1.052300    
 C    2.540600     -0.8595000      0.6215000    
 C   -2.481000     -0.6583000      5.0700001E-02
 C    1.600000     -0.1954000     -0.3798000    
 C   -1.227000       2.109300      0.2448000    
 C    3.998200     -0.8003000      0.1692000    
 C   -4.508800      -2.314000      0.8651000    
 H  -0.1000000       1.441000      -1.394400    
 H   -1.110000     -0.8224000      -1.616400    
 H   -2.281100      0.4890000      -1.760900    
 H   0.3269000      0.1976000       1.224400    
 H    2.446400     -0.3525000       1.589500    
 H   -1.848400      -1.193500      0.7659000    
 H   -3.038200      0.1145000      0.5889000    
 H    4.143000      -1.293000     -0.7988000    
 H    4.655800      -1.274000      0.9060000    
 H    1.161300      -2.278500       1.131800    
 H    2.700700      -2.745200       1.391600    
 H   -1.179600       3.024400       1.962900    
 H   -3.799700      -2.769400       1.561400    
 H   -5.286600      -3.046400      0.6335000    
 H   -4.978900      -1.445300       1.333500    
 H    5.316200      0.5671000     -0.2502000    


%chk=000151087-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151087

0 1
S -3.858662 -1.609270 -0.079646
O 1.450791 -1.344467 -1.867255
O -0.167909 2.437513 0.584346
O 2.115510 0.173340 2.108681
O -1.499560 2.809080 -1.280115
N 0.630161 0.028699 -0.175462
N 3.539933 -2.228250 -0.375568
C -0.380816 0.629424 -1.049625
C -1.678705 -0.237364 -1.167629
C 2.502192 -1.503322 0.361945
C -2.399529 -0.428533 0.175426
C 1.484660 -0.930661 -0.662300
C -0.745135 2.050569 -0.637494
C 3.163506 -0.403466 1.226416
C -4.473383 -1.678722 1.697459
H 0.041921 0.683955 -2.072963
H -1.372440 -1.214891 -1.581311
H -2.351553 0.247388 -1.898231
H 0.794602 0.376296 0.785804
H 1.920711 -2.152715 1.057094
H -1.725298 -0.874916 0.927427
H -2.798057 0.527272 0.561909
H 3.609645 0.370659 0.571321
H 3.961448 -0.868419 1.835387
H 3.295511 -2.331458 -1.368893
H 3.862226 -3.093152 0.061187
H -0.460736 3.364295 0.800335
H -3.687928 -2.076422 2.360559
H -5.339616 -2.358593 1.704928
H -4.788863 -0.678366 2.035590
H 2.483072 0.927898 2.629079


